Compound Identification
SMILES
CC1N(CC2=CC=CC=C2)C(=O)C2=CC(OC(=O)C3=CC(=CC=C3)S(F)(=O)=O)=NC(OC(=O)C3=CC(=CC=C3)S(F)(=O)=O)=C12
InChIKey
InChIKey=YWUCQPWIHAQMAB-UHFFFAOYSA-N
Formula
C29H20F2N2O9S2
Mass
642.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzenesulfonyl compounds Pyridinecarboxylic acids and derivatives Pyrrolopyridines Benzoyl derivatives Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Organosulfonic acids and derivatives Sulfonyl fluorides Pyrroles Lactams Carboxylic acid esters Azacyclic compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzenesulfonyl group - Pyrrolopyridine - Pyridine carboxylic acid or derivatives - Benzoyl - Pyridine - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Sulfonyl halide - Sulfonyl fluoride - Carboxylic acid ester - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available